N-[2-[[4-[2-[bis[2,2-bis(fluoranyl)ethyl]-oxidanidyl-azaniumyl]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethyl]-N-[2,2-bis(fluoranyl)ethyl]-2,2-bis(fluoranyl)ethanamine oxide

Systemtic Name: N-[2-[[4-[2-[bis[2,2-bis(fluoranyl)ethyl]-oxidanidyl-azaniumyl]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethyl]-N-[2,2-bis(fluoranyl)ethyl]-2,2-bis(fluoranyl)ethanamine oxide Openeye Name: N-[2-[[4-[2-[bis(2,2-difluoroethyl)-oxido-ammonio]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethyl]-N-(2,2-difluoroethyl)-2,2-difluoro-ethanamine oxide CAS Name: N-[2-[[4-[2-[bis(2,2-difluoroethyl)-oxidoammonio]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethyl]-N-(2,2-difluoroethyl)-2,2-difluoroethanamine oxide IUPAC Name: N-[2-[[4-[2-[bis(2,2-difluoroethyl)-oxidoazaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl]-N-(2,2-difluoroethyl)-2,2-difluoroethanamine oxide Traditional Name: N-[2-[[4-[2-[bis(2,2-difluoroethyl)-oxido-ammonio]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethyl]-N-(2,2-difluoroethyl)-2,2-difluoro-ethanamine oxide Formula: C26H28F8N4O6 MolecularWeight: 644.510946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1NCC[N+](CC(F)F)(CC(F)F)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)NCC[N+](CC(F)F)(CC(F)F)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1NCC[N+](CC(F)F)(CC(F)F)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)NCC[N+](CC(F)F)(CC(F)F)[O-]

InChI

InChI=1S/C26H28F8N4O6/c27-17(28)9-37(43,10-18(29)30)7-5-35-13-1-2-14(36-6-8-38(44,11-19(31)32)12-20(33)34)22-21(13)25(41)23-15(39)3-4-16(40)24(23)26(22)42/h1-4,17-20,35-36,39-40H,5-12H2